_SECTION_PARAMETERS_ |
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| &MULTIPOLES T
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| Controls the activation of the Multipoles
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: F
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MAX_MULTIPOLE_EXPANSION |
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| MAX_MULTIPOLE_EXPANSION DIPOLE
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| Specify the maximum level of multipoles expansion used for the electrostatics.
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| This optional keyword expects a keyword |
| valid keywords: NONE : No multipolar terms! Check the codes providing a zero contribution.
CHARGE : Use up to the Charge term
DIPOLE : Use up to the Dipole term
QUADRUPOLE : Use up to the Quadrupole term
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POL_SCF |
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| POL_SCF T
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| Specify if the SCF for induced multipole moments is used
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: F
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MAX_IPOL_ITER |
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| MAX_IPOL_ITER {int}
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| Specify the maximum number of iterations for induced Dipoles
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| This optional keyword expects an integer. Default value: 0
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EPS_POL |
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| EPS_POL {real}
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| Specify the maximum number of iterations for induced Dipoles
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| This optional keyword expects a real. Default value: 4.9999999999999998E-08
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